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At least 163 records · Page 9

Uncertainty Quantification for Multiphase Computational Fluid Dynamics Closure Relations with a Physics-Informed Bayesian Approach

Multiphase Computational Fluid Dynamics (MCFD) based on the two-fluid model is considered a promising tool to model complex two-phase flow systems. MCFD simulation can predict local flow features without resolving interfacial information. As a result, the MCFD solver relies on closure relations to describe the interaction between the two phases. Those empirical or semi-mechanistic closure relations constitute a major source of uncertainty for MCFD predictions. In this paper, we leverage a physics-informed uncertainty quantification (UQ) approach to inversely quantify the closure relations’ model form uncertainty in a physically consistent manner. This proposed approach considers the model form uncertainty terms as stochastic fields that are additive to the closure relation outputs. Combining dimensionality reduction and Gaussian processes, the posterior distribution of the stochastic fields can be effectively quantified within the Bayesian framework with the support of experimental measurements. As this UQ approach is fully integrated into the MCFD solving process, the physical constraints of the system can be naturally preserved in the UQ results. Here, in a case study of adiabatic bubbly flow, we demonstrate that this UQ approach can quantify the model form uncertainty of the MCFD interfacial force closure relations, thus effectively improving the simulation results with relatively sparse data support.

42 ENGINEERING↗

A multiphase flow model of water droplets dielectrophoretic-induced air dehumidification phenomena

Air humidity in indoor spaces plays a critical role in human comfort and health. Dehumidification systems are used for building humidity controls, but they can take significant energy consumption, especially in geographic locations with high outdoor humidity and warm climates. Consequently, there is a growing demand for innovative dehumidification processes that consume minimal energy. Dielectrophoretic air dehumidification represents one such promising approach. However, it has not garnered significant attention due to the absence of engineering models and simulation tools capable of evaluating its performance and limitations at large-scale airflows. A new numerical multiphase CFD model, which is also experimentally validated, is developed in a customized Reacting Foam solver based on OpenFOAM® version 9. The newly developed model seeks to decrease substantial energy consumption and lower costs by leveraging the dielectrophoretic phenomenon to regulate moisture levels in the air. The solver integrates a hybrid Eulerian-Lagrangian framework to track the droplet's trajectory and growth rate while solving the continuum equations for the moist air. An electrospray produces electrically charged droplets, which grow during their in-flight trajectories as water vapor condenses onto their surfaces. The role of electrostatic forces in promoting vapor condensation within a high-gradient electrical field is investigated, and the dielectrophoretic vapor nucleation process on charged water droplets is discussed. The CFD model was validated against results from the literature and from proof-of-concept experiments conducted by the authors, which showed a 2 % air dehumidification with a single electrospray and airflow rate of 5 cubic feet per minute. The simulation results indicated that augmenting the number of electrically charged spray droplets increased the dehumidification of the air to 25 %. The initial mean droplet diameter, the orientation of the injector and relative humidity significantly influence the assessment of dehumidification. As a result, scaling up this approach to larger airflow volumes is identified as a potential future research direction.

42 ENGINEERING↗

Atomization simulations using an Eulerian-VOF-Lagrangian method

This paper summarizes the technical development and validation of a multiphase computational fluid dynamics (CFD) numerical method using the volume-of-fluid (VOF) model and a Lagrangian tracking model which can be employed to analyze general multiphase flow problems with free surface mechanism. The gas-liquid interface mass, momentum and energy conservations are modeled by continuum surface mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed flow regimes. The objectives of the present study are to develop and verify the fractional volume-of-fluid cell partitioning approach into a predictor-corrector algorithm and to demonstrate the effectiveness of the present innovative approach by simulating benchmark problems including the coaxial jet atomization.

Chen, Yen-Sen↗

A reacting multiphase computational flow model for 2,3-butanediol synthesis in industrial-scale bioreactors

The microbe, Zymomonas mobilis, can efficiently convert sugars to 2,3 butanediol (BDO), an important intermediate for downstream chemical products, only in a well-controlled microaerated environment. However, controlling oxygen distribution in industrial-scale bioreactors is challenging, and at-scale BDO production is hard to optimize using traditional engineering methods. This study takes a step towards addressing this problem through a computational model for reacting multiphase flows in large-scale bioreactors. A phenomenological metabolic model was first developed and validated against experiments, and then it was coupled to a multiphase computational fluid dynamics (CFD) solver using a subcycling algorithm for simulating long conversion times (~30 hours). Large-scale (~500 m 3 ) bubble column simulations using this coupled approach demonstrated a 25% improvement in BDO yield with low sparging rates (0.002 m/s) and low height-to-diameter ratio (0.875) compared to a baseline bubble column (35 m height, 5 m diameter) with a superficial gas velocity of 0.06 m/s.

09 BIOMASS FUELS↗

Modeling of dense reactive granular flows

Because of the lack of fundamental knowledge of both the fluid mechanical and thermal behavior of multiphase flow systems, the design of these processes has been necessarily based on empirical correlations and experiments performed in laboratory or pilot scale units. Detailed models and simulations of these systems would allow for the optimization of the processes and their scaling, without the need for expensive and time consuming testing. In this paper, we present the proposed hydrodynamic model in detail.

granular↗

Investigation of theoretical scaling laws using large eddy simulations for airborne spreading of viral contagion from sneezing and coughing

Using a set of large eddy point-particle simulations, we explore the fluid dynamics of an ejected puff resulting from a cough/sneeze. The ejection contains over 61,000 potentially virus-laden droplets at an injection Reynolds number of about 46,000, comparable to an actual cough/ sneeze. We observe that global puff properties, such as centroid, puff volume, momentum, and buoyancy vary little across realizations. Other properties, such as maximum extent, shape, and edge velocity of the puff, may exhibit substantial variation. In many realizations, a portion of the puff splits off and advances along a random direction, while keeping airborne droplet nuclei afloat. This peeled-off portion provides a mechanism for virus-laden droplets to travel over large distances in a short amount of time. We also observe that the vast majority of droplets remain suspended within the puff after all liquid has evaporated. The main objectives of the study are to (i) evaluate assumptions of Balachandar’s et al. theory [Int. J. Multiphase Flow 132, 103439 (2020)], which include buoyancy effects, shape of the puff, and droplet evaporation rate, (ii) obtain values of closure parameters, which include location and time of the virtual origin, and puff entrainment and drag coefficients, and (iii) evaluate the accuracy of the theory in predicting the shape, size, and location of the puff, as well as droplet number density long after ejection. The theory adequately predicts global puff properties including size, velocity, and distance traveled, the largest size of droplets that exit the puff due to settling, and the droplet size distribution within the puff long after ejection.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Shock-driven dispersal of a corrugated finite-thickness particle layer

A research area emerging in the multiphase flow community is the study of shock-driven multiphase instability (SDMI), a gas–particle analog of the traditional fluid-fluid Richtmyer–Meshkov instability (RMI). In this work, we study the interaction of planar air shocks with corrugated glass particle curtains through the use of numerical simulations with an Eulerian–Lagrangian approach. One objective of this study is to compare the simulated particle curtains to a comparable set of shock tube experiments performed to analyze traditional RMI of a gas curtain. The simulations are set to match the experimental shock Mach numbers and perturbation wavelengths (3.6 and 7.2 mm) while also matching the Atwood number of the experiments to the multiphase Atwood number of the simulations. Varying particle diameters are tested in the simulations to explore the impact of particle diameter on the evolution of the particle curtain. This simulation setup allows for a one-to-one comparison between RMI and SDMI under comparable conditions while also allowing for a separate study into the validity of the use of the multiphase Atwood number to compare the single-phase and multiphase instabilities. In particular, we show that the comparison depends on the diameter of the particles (thus, dependent on the Stokes number of the flow). A second objective of this study is to analyze the effect of the initial particle volume fraction on the evolution of the curtain and the behavior of the instability. This is done through analyzing the effect of the multiphase terms of the vorticity evolution equation on the vorticity deposition in SDMI. Also discussed is the effect of the particle diameter on the multiphase generation terms as well as in the baroclinic vorticity generation term in SDMI as the shock passes over the curtain.

42 ENGINEERING↗

Multi-Phase Modeling of Rainbird Water Injection

This paper describes the use of a Volume of Fluid (VOF) multiphase model to simulate the water injected from a rainbird nozzle used in the sound suppression system during launch. The simulations help determine the projectile motion for different water flow rates employed at the pad, as it is critical to know if water will splash on the first-stage rocket engine during liftoff.

Motion Projectile↗

Radionuclide Transport Simulations Supporting Proposed Borehole Waste Disposal in Israel

A scientific collaboration between the U.S. and Israel is underway to assess the suitability of a potential site for subsurface radioactive waste disposal in the Negev Desert, Israel. The Negev Desert has several favorable attributes for geologic disposal, including an arid climate, a deep vadose zone, interlayered low-permeability lithologies, and carbonate rocks with high uranium-sorption potential. These features may provide a robust natural barrier to radionuclide migration. Geologic and laboratory characterization data from the Negev Desert are incorporated into multiphase flow and transport models, solved using PFLOTRAN, to aid in site characterization and risk analysis that will support decision-making for waste disposal in an intermediate-depth borehole design. The lithology with the greatest uranium sorption potential at the site is phosphorite. We use modeling to evaluate the ability of this layer to impact uranium transport around a proposed disposal borehole. The current objective of the simulations is focused on characterizing hypothetical leakage from waste canisters and subsequent uranium migration under three infiltration scenarios. Here, we describe a hydrogeologic model based on data from a local exploratory borehole and present results for uranium flow and transport simulations under varying infiltration scenarios. We find that under the current climate conditions, it is likely that uranium will remain in the near-field of the borehole for thousands of years. However, under a hypothesized extreme climate scenario representing an increase in infiltration by a factor of 300x above present-day values, uranium may break through the phosphorite layer and exit the base of the model domain (~200 m above the water table) within 1000 years. Simulation results have direct implications for the planning of nuclear waste disposal in the Negev Desert, and specifically in intermediate-depth boreholes.

58 GEOSCIENCES↗

Flow-plane decorrelations in heavy-ion collisions with multiple-plane cumulants

The azimuthal correlations between local flow planes at different (pseudo)rapidities (η) may reveal important details of the initial nuclear matter density distributions in heavy-ion collisions. Extensive experimental measurements of a factorization ratio (r 2 ) and its derivative (F 2 ) have shown evidence of the longitudinal flow-plane decorrelation. However, nonflow effects also affect this observable and prevent a quantitative understanding of the phenomenon. In this paper, to distinguish decorrelation and nonflow effects, we propose a new cumulant observable, T 2 , which largely suppresses nonflow. Here, the technique sensitivity to different initial-state scenarios and nonflow effects are tested with a simple Monte Carlo model, and in the end, the method is applied to events simulated by a multiphase transport model (AMPT) for Au+Au collisions at $\sqrt{s_{NN}}$ = 200 GeV. We also emphasize that a distinct decorrelation signal requires not only the right sign of an observable but also its proper dependence on the η window of the reference flow plane to be consistent with the pertinent decorrelation picture.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Openpronghorn

OpenPronghorn is a simulation tool specifically tailored for modeling thermal-hydraulic phenomena in advanced nuclear reactors. It is built on the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source platform that facilitates the development of high-performance scientific computing applications. OpenPronghorn solves the Navier-Stokes equations, which describe the conservation of mass, momentum, and energy in fluid flows, using the finite volume numerical method. The code supports a wide range of fluid flow conditions that are applicable to nuclear reactors, including incompressible and weakly compressible flows, as well as single-phase and multiphase flows. It is capable of modeling diverse flow regimes, including laminar and turbulent flows, using various turbulence models such as the standard k-epsilon models, the v2f model, and the mixing length model. For multiphase flows, OpenPronghorn employs a mixture a Eulerian modeling approach with mixture, drift-flux, and full Eulerian models, and includes open-sourced interfacial transfer correlations for drag, exchange, and heat transfer coming from the scientific literature. OpenPronghorn's modular design allows it to handle multiscale simulations, ranging from detailed Reynolds-Averaged Navier Stokes (RANS) simulations to coarse-mesh and lumped parameter models. This flexibility enables users to perform high-fidelity simulations of specific reactor components as well as system-level analyses of entire reactor circuits. The code can be coupled with other MOOSE-based tools using the MultiApp system, allowing for the transfer of coupling quantities such as mass flow rates, heat fluxes, and boundary conditions between different simulation scales. One of the main features of OpenPronghorn is the it includes built-in validation cases from the open-source scientific literature and supports the implementation of user-defined models and correlations through MOOSE's FunctorMaterial system. OpenPronghorn is designed to be computationally efficient, leveraging the SIMPLE projection method for large-scale problems, and can be run on high-performance computing systems to handle the extensive computational demands of detailed reactor simulations. Overall, OpenPronghorn is a versatile and robust tool that provides critical insights into the thermal-hydraulic behavior of advanced nuclear reactors, supporting the design, safety, and optimization of next-generation nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

A numerical study of an atomizing jet in a resonant acoustic field

By applying state-of-the-art, high-fidelity methods for compressible multiphase flows, this work features a parametric study of a turbulent liquid jet atomizing under the influence of standing acoustic waves with five different amplitude values. We perform these simulations in a semi-periodic domain to isolate interactions between acoustic and atomization processes and to emulate a pure liquid fuel spray placed at the pressure node of a resonant acoustic field. Characterization of the flow includes measurements of the mean dimensions, droplet number, and surface area of the liquid distribution, alongside qualitative depictions of the interface evolution, breakup events, and hydrodynamic fields. As acoustic forcing is provided to the flow, the added energy provokes atomization when shear would otherwise be insufficient for breakup. The magnitude of the forcing determines the rate of droplet production, which accelerates as the evolving liquid surface modifies the induced motion of the gas phase. At the nodal plane, the acoustic field produces an organizing effect on the liquid structures.

42 ENGINEERING↗

Computational Fluid Dynamics Analysis of a 12 MW Circulating Fluidized Bed Rise

A three-dimensional (3D) two fluid model (TFM) model of the 12 MW circulating fluidized bed (CFB) riser at Chalmers University was developed using the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The hydrodynamic behavior of the riser was validated by comparing axial pressure profiles from experimental measurements with the results from the simulations. Under some of the operating conditions where there was no external circulation of solids, the pressure profiles from the simulation matched well with the experimental measurements. For the cases where there was external circulation of solids, the pressure profiles with the monodisperse solid phase modeling underpredicted the solids concentration in the freeboard region. With the inclusion of polydispersity in the model, the predicted pressure profiles agreed well with the experimental measurements. A two-dimensional (2D) model of the riser was used to perform simulations of coal combustion. The predicted flue gas outlet compositions of oxygen and carbon dioxide compared reasonably to experiments. The experiments also reported some concentration of carbon monoxide which was overpredicted in the simulations. Additional experimental data such as axial oxygen concentration profile and pressure profiles were also compared with the experiment. It was observed that the oxygen concentration in the bottom bed from the simulations was higher than in the experiments, which suggested that most of the oxidation reactions occurred in the bottom bed. The concentration of volatiles and char in the simulations was lower in the bottom bed than in the experiments, which suggest that there is not sufficient penetration of the solid phase species into the bed.

20 FOSSIL-FUELED POWER PLANTS↗

Reduced-Order CFD Modeling to Support Waste Loading Optimization in Hanford WTP Vitrification

The U.S. DOE Hanford Site stores over 56 million gallons of radioactive liquid tank waste that must be treated and immobilized for long-term disposal The Waste Treatment and Immobilization Plant (WTP) will vitrify this waste by feeding it into Joule-heated melters, where it is incorporated into a stable borosilicate glass Computational fluid dynamics (CFD) simulations of glass melters can provide insight into the maximum achievable waste loading under varying melter operating conditions Fully resolved VOF multiphase simulations were used as the reference model to capture bubble-driven convection in the melter, including bubble formation, rise behavior, and induced glass melt circulation Effective bubble column diameter and rise velocity were extracted from the resolved simulations, compared with empirical correlations, and refit across relevant viscosity and gas flow rate conditions Explicit gas–liquid interface tracking was replaced with a single-phase momentum source term model, enabling faster steady-state CFD simulations while preserving the dominant hydrodynamic effects of bubbling New empirical correlations were developed for effective bubble column diameter and bubble rise velocity by fitting resolved simulation data across expected melter viscosity and gas flow rate ranges, providing improved inputs for the momentum source term model compared with existing literature correlations The momentum source term model reduced fluid-domain mesh size by 89% and achieved an 8.4× computational speedup relative to resolved bubbling simulations The validated momentum source term approach enables prediction of process-relevant heat transfer behavior in the integrated melter model, including heat transfer from the molten glass to the cold cap, plenum, refractory walls, and surrounding structural regions under varying melter operating conditions

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

Assessment and Improvement Proposals for High-Pressure Rinsing Processes during Cleanroom Preparation of Superconducting Radio-Frequency Cavities for Particle Accelerators

The goal of this internship is to develop a fluid dynamics characterization of the high-pressure flow used for cleaning the internal surface of the SRF cavities. Initially, the High Pressure Rinsing (HPR) process is introduced, focusing on the problems of the SRF cavities and how this method can be used to increase their acceleration efficiency and performance. The characterization of the problem is then presented, including an introduction to the multiphase flow modeling and the analysis of the Fermilab facility for the HPR. To accomplish the goal, a preliminary estimation of the variables was performed using MATLAB. Then, multiple 2D simulations were developed with Ansys Fluent, and the influence of the main parameter was investigated. The simulation results are then presented and analysed, with a focus on the possible future developments of the HPR process fluid dynamic characterization.

43 PARTICLE ACCELERATORS↗

Numerical Analysis of Water Harvesting from Saturated Vapor with the Electrospray Water Droplet Injection in The Solar-Driven Desalination Applications

Solar-driven seawater desalination systems provide freshwater through environmentally friendly and carbon-neutral processes. Air humidification and dehumidification desalination (HDD) systems extract water directly from moist air. This paper focuses on a new solar-driven seawater desalination system that shares some common traits with HDD systems but in which the air is eliminated from the process. Seawater is vaporized by solar thermal radiation in high-performance solar panels. Water vapor flows to a new electro-condensation chamber and passes through a series of electrosprays, which inject small nuclei of freshwater droplets into the vapor clouds. Here, due to dielectrophoresis and electrohydrodynamic flows, the vapor molecules are captured by the charged droplets, and vapor is condensed at the droplet surface. The water vapor condensation was modeled by using the multiphase flow numerical model. The CFD model, which was also experimentally validated, used SprayFoam solver modules available in the Open FOAM® CFD open-source software. In preliminary results, 802 grams/(hr-m2) (grams per hour per unit area) of water was harvested directly from moist air at 24C and 90% relative humidity. The simulation results indicated that freshwater productivity could increase up to 4,000 grams/(hr-m2) for fully saturated air conditions. This represents about 5 times the water productivity rate of current conventional HDD systems today. In addition, energy consumption could be reduced by 80 percent compared to conventional HDD systems.

Electrospray, electro-condensation, solar, droplet↗

Predicting multiphase flow and tracer transport for an underground chemical explosive test

Detecting radionuclide gas seepage from clandestine underground nuclear tests is central to nonproliferation explosion monitoring research. Yet, early-time (<6 day) gas transport driven by the explosive pressure wave remains poorly constrained due to scarcity of field data. We simulate multi-phase gas transport in the vadose zone using pre-shot data from a recent chemical explosion in P-Tunnel at the Nevada National Security Site, USA. Despite using a simplified 2D-radial model, predictions of tracer arrival matched observations within one order-of-magnitude. Our results show how transient blast forcing rapidly mobilizes gases from the cavity into surrounding rock – critical for optimizing sensor placement and test planning. This unique integration of field data and modeling represents a significant improvement in our ability to predict gas migration from underground explosions. More broadly, it offers insights into the coupled dynamics of pressure waves and contaminant transport in the vadose zone, with implications for monitoring and hazard assessment.

54 ENVIRONMENTAL SCIENCES↗

Unveiling the Essential Parameters Driving Mineral Reactions during CO2 Storage in Carbonate Aquifers through Proxy Models

Numerical simulation is a commonly employed technique for studying carbon dioxide (CO2) storage processes in porous media, particularly saline aquifers. It enables the representation of diverse trapping mechanisms and the assessment of CO2 retention capacity within the subsurface. The intricate physicochemical phenomena involved necessitate the incorporation of multiphase flow, accurate depiction of fluid and rock properties, and their interactions. Among these factors, geochemical reaction rates and mechanisms are pivotal for successful CO2 trapping in carbonate reactive rocks. However, research on kinetic parameters and the influence of lithology on CO2 storage remains limited. This limitation is partly due to the challenges faced in laboratory experiments, where the time scale of the reactions and the lack of in situ conditions hinder accurate measurement of mineral reaction rates. This study employs proxy models constructed using response surfaces calibrated with simulation results to address uncertainties associated with geochemical reactions. Monte Carlo simulation is utilized to explore a broader range of parameters and identify influential factors affecting CO2 mineralization. The findings indicate that an open database containing kinetic parameters can support uncertainty assessment. Additionally, the proxy models effectively represent objective functions related to CO2 injectivity and mineralization, with calcite dissolution playing a predominant role. pH, calcite concentration, and CO2 injection rate significantly impact dolomite precipitation, while quartz content remains unaffected.

58 GEOSCIENCES↗